2-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]-1H-imidazole;hydrochloride

C23H18ClF3N2 — CID 69388731

IUPAC2-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]-1H-imidazole;hydrochloride
SMILESCl.FC(F)(F)c1cccc(C(c2ccccc2)(c2ccccc2)c2ncc[nH]2)c1
InChIInChI=1S/C23H17F3N2.ClH/c24-23(25,26)20-13-7-12-19(16-20)22(21-27-14-15-28-21,17-8-3-1-4-9-17)18-10-5-2-6-11-18;/h1-16H,(H,27,28);1H
InChIKeyXKNNTJIEJGFGFH-UHFFFAOYSA-N
MW414.86 g/mol
LogP6.23
Rot. Bonds4

About 2-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]-1H-imidazole;hydrochloride

2-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]-1H-imidazole;hydrochloride (PubChem CID 69388731) has the molecular formula C23H18ClF3N2 and a molecular weight of 414.86 g/mol. Its IUPAC name is 2-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name2-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]-1H-imidazole;hydrochloride
PubChem CID69388731
Molecular FormulaC23H18ClF3N2
Molecular Weight414.86 g/mol
Exact Mass414.11
IUPAC Name2-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]-1H-imidazole;hydrochloride
SMILESCl.FC(F)(F)c1cccc(C(c2ccccc2)(c2ccccc2)c2ncc[nH]2)c1
InChIInChI=1S/C23H17F3N2.ClH/c24-23(25,26)20-13-7-12-19(16-20)22(21-27-14-15-28-21,17-8-3-1-4-9-17)18-10-5-2-6-11-18;/h1-16H,(H,27,28);1H
InChIKeyXKNNTJIEJGFGFH-UHFFFAOYSA-N
XLogP6.23
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.86
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]-1H-imidazole;hydrochloride?
The IUPAC name of 2-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]-1H-imidazole;hydrochloride (CID 69388731) is 2-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]-1H-imidazole;hydrochloride.
What is the SMILES notation for 2-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]-1H-imidazole;hydrochloride?
The canonical SMILES for 2-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]-1H-imidazole;hydrochloride is Cl.FC(F)(F)c1cccc(C(c2ccccc2)(c2ccccc2)c2ncc[nH]2)c1.
What is the InChIKey of 2-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]-1H-imidazole;hydrochloride?
The InChIKey is XKNNTJIEJGFGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2.ClH/c24-23(25,26)20-13-7-12-19(16-20)22(21-27-14-15-28-21,17-8-3-1-4-9-17)18-10-5-2-6-11-18;/h1-16H,(H,27,28);1H.
What are the key properties of 2-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]-1H-imidazole;hydrochloride?
2-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]-1H-imidazole;hydrochloride has a molecular weight of 414.86 g/mol, XLogP of 6.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]-1H-imidazole;hydrochloride is sourced from PubChem (CID 69388731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).